Cas no 128126-45-4 (Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI))

Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI) structure
128126-45-4 structure
Product Name:Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI)
CAS No:128126-45-4
MF:C13H25N9O3
MW:355.396100759506
CID:163274
PubChem ID:124498
Update Time:2025-04-19

Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-met
    • Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI)
    • Q7669302
    • TAN-1057 A
    • 128126-45-4
    • Tan 1057B
    • TAN-1057B
    • Hexanamide, 3-amino-N-(2-((aminocarbonyl)amino)-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl)-6-((aminoiminomethyl)amino)-N-methyl-, (R-(R*,S*))-
    • DTXSID30155815
    • CHEBI:212087
    • (3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide
    • Inchi： 1S/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8+/m0/s1
    • InChI Key： ZMWBCGMRXBPXEU-JGVFFNPUSA-N
    • SMILES： O=C(C[C@H](CCC/N=C(\N)/N)N)N(C)[C@H]1C(NC(NC(N)=O)=NC1)=O

Computed Properties

  • Exact Mass: 355.208
  • Monoisotopic Mass: 355.208
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 8
  • Complexity: 571
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.2
  • Topological Polar Surface Area: 207?2

Experimental Properties

  • Density: 1.6
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.706

Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI) Related Literature

Related Categories

128126-45-4 (Hexanamide,3-amino-N-[(5R)-2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl]-6-[(aminoiminomethyl)amino]-N-methyl-,(3S)- (9CI)) Related Products

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